Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000275
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5 compound
IUPAC NameN-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
FormulaC19H18BrN5
Mass396.284
Exact Mass395.0745582
Composition C (57.59%), H (4.58%), Br (20.16%), N (17.67%)
Atom Count43
PI12.05
Smilesc12c(cc3c(c1)c(c[nH]3)CN(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C19H18BrN5/c1-25(2)10-12-9-21-17-8-18-16(7-15(12)17)19(23-11-22-18)24-14-5-3-4-13(20)6-14/h3-9,11
,21H,10H2,1-2H3,(H,22,23,24)
InChIKeyIGDHQJMAOBJFFR-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference9154973
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328293
Drug Bank Link -
ChemSpider Link 4485458
ChEMBL Link CHEMBL287007
 
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